4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole

C25H30N2 — CID 142849363

IUPAC4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole
SMILESCC1=C(CCc2ccc(CC3CNCC3C)cc2)N=C(c2ccccc2)C1
InChIInChI=1S/C25H30N2/c1-18-14-25(22-6-4-3-5-7-22)27-24(18)13-12-20-8-10-21(11-9-20)15-23-17-26-16-19(23)2/h3-11,19,23,26H,12-17H2,1-2H3
InChIKeyHZUINTWUORUOJU-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.18
Rot. Bonds6

About 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole

4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole (PubChem CID 142849363) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole.

Molecular Properties

Compound Name4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole
PubChem CID142849363
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole
SMILESCC1=C(CCc2ccc(CC3CNCC3C)cc2)N=C(c2ccccc2)C1
InChIInChI=1S/C25H30N2/c1-18-14-25(22-6-4-3-5-7-22)27-24(18)13-12-20-8-10-21(11-9-20)15-23-17-26-16-19(23)2/h3-11,19,23,26H,12-17H2,1-2H3
InChIKeyHZUINTWUORUOJU-UHFFFAOYSA-N
XLogP5.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole?
The IUPAC name of 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole (CID 142849363) is 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole.
What is the SMILES notation for 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole?
The canonical SMILES for 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole is CC1=C(CCc2ccc(CC3CNCC3C)cc2)N=C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole?
The InChIKey is HZUINTWUORUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-18-14-25(22-6-4-3-5-7-22)27-24(18)13-12-20-8-10-21(11-9-20)15-23-17-26-16-19(23)2/h3-11,19,23,26H,12-17H2,1-2H3.
What are the key properties of 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole?
4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole has a molecular weight of 358.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole is sourced from PubChem (CID 142849363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).